3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide

C20H19N3O3S — CID 1228486

IUPAC3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3C)c2)c1
InChIInChI=1S/C20H19N3O3S/c1-14-10-11-21-19(12-14)22-20(24)16-7-5-8-17(13-16)23-27(25,26)18-9-4-3-6-15(18)2/h3-13,23H,1-2H3,(H,21,22,24)
InChIKeyFZBKFYVIAWWRJW-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.75
Rot. Bonds5

About 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide

3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 1228486) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID1228486
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3C)c2)c1
InChIInChI=1S/C20H19N3O3S/c1-14-10-11-21-19(12-14)22-20(24)16-7-5-8-17(13-16)23-27(25,26)18-9-4-3-6-15(18)2/h3-13,23H,1-2H3,(H,21,22,24)
InChIKeyFZBKFYVIAWWRJW-UHFFFAOYSA-N
XLogP3.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide (CID 1228486) is 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3C)c2)c1.
What is the InChIKey of 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is FZBKFYVIAWWRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-10-11-21-19(12-14)22-20(24)16-7-5-8-17(13-16)23-27(25,26)18-9-4-3-6-15(18)2/h3-13,23H,1-2H3,(H,21,22,24).
What are the key properties of 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide?
3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 1228486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).